Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1119382 | 0.89 | PDK1 (0.39) | SRCPDK1PDK2PDK3PDK4 | |
| SCHEMBL379494 | 0.85 | SRC (0.47) | SRCAKT1ALDH1A1KDM4ENPC1 | |
| SCHEMBL24429192 | 0.81 | SRC (0.46) | SRCAKT1ALDH1A1KDM4ENPC1 | |
| SCHEMBL5051442 | 0.79 | SRC (0.47) | SRCAKT1ALDH1A1KDM4ENPC1 | |
| SCHEMBL342322 | 0.76 | SRC (0.49) | SRCALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL21921081 | 0.75 | ADORA2A (0.44) | SRCAKT1ALDH1A1KDM4EMAPT | |
| SCHEMBL1010818 | 0.75 | TRPV1 (0.40) | SRCAKT1ALDH1A1HPGDHTT | |
| SCHEMBL3316275 | 0.74 | SRC (0.45) | SRCAKT1ALDH1A1SLC13A5LMNA | |
| SCHEMBL10912802 | 0.73 | SRC (0.46) | SRCALDH1A1KDM4EMAPTSLC13A5 | |
| SCHEMBL6985112 | 0.73 | ALDH1A1 (0.64) | ALDH1A1KDM4EMAPTHTTSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104860881-A | Methods for synthesizing 8-(nitro methyl) quinoline compounds and 8-methylamino tetrahydroquinoline compounds | UNIV ZHEJIANG TECHNOLOGY | 2015-08-26 | — | — | CN | disclosed |
| CN-104860881-A | Methods for synthesizing 8-(nitro methyl) quinoline compounds and 8-methylamino tetrahydroquinoline compounds | UNIV ZHEJIANG TECHNOLOGY | 2015-08-26 | — | — | CN | disclosed |
| CN-104860881-A | Methods for synthesizing 8-(nitro methyl) quinoline compounds and 8-methylamino tetrahydroquinoline compounds | UNIV ZHEJIANG TECHNOLOGY | 2015-08-26 | — | — | CN | disclosed |